SCHEMBL17960306

SCHEMBL17960306

COC[C@H](CO)NCc1ccc(C(=O)O)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HCAR3 P49019 4/20 0.38
▸ PTGER4 P35408 1/20 0.37
▸ TRPV3 Q8NET8 3/20 0.36
▸ ACE2 Q9BYF1 2/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ P4HB P07237 1/20 0.35
▸ AGTR1 P30556 1/20 0.35
▸ AGTR2 P50052 1/20 0.35
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17958077 1.00 TDP1 (0.40) TDP1KDM4EALDH1A1HCAR3PTGER4
SCHEMBL17958078 1.00 TDP1 (0.40) TDP1KDM4EALDH1A1HCAR3PTGER4
SCHEMBL17973668 0.90 P4HB (0.45) TDP1KDM4EALDH1A1TRPV3MAPK10
SCHEMBL29990765 0.90 P4HB (0.45) TDP1KDM4EALDH1A1TRPV3MAPK10
SCHEMBL29501152 0.90 P4HB (0.45) TDP1KDM4EALDH1A1TRPV3MAPK10
SCHEMBL29501148 0.90 P4HB (0.45) TDP1KDM4EALDH1A1TRPV3MAPK10
SCHEMBL17991533 0.90 P4HB (0.45) TDP1KDM4EALDH1A1TRPV3MAPK10
SCHEMBL28594301 0.90 P4HB (0.45) TDP1KDM4EALDH1A1TRPV3MAPK10
SCHEMBL17958015 0.86 TDP1 (0.45) TDP1KDM4EALDH1A1HCAR3ACE2
SCHEMBL17958016 0.86 TDP1 (0.45) TDP1KDM4EALDH1A1HCAR3ACE2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891365-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO HEALTH, INC. (US) 2024-02-06 — — US disclosed
CN-107873023-B 3-alkyl-4-amido-bicyclo [4, 5, 0] hydroxamic acids as HDAC inhibitors 福马治疗股份有限公司 2021-07-23 — — CN disclosed
US-10988450-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-04-27 — — US disclosed
US-10464909-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-11-05 — — US disclosed
US-10464910-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-11-05 — — US disclosed
US-10457652-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-10-29 — — US disclosed
US-10442776-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-10-15 — — US disclosed
US-10421732-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-09-24 — — US disclosed
US-20190127339-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2019-05-02 — — US disclosed
US-20190119229-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2019-04-25 — — US disclosed
US-20190119228-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2019-04-25 — — US disclosed
US-20190119227-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2019-04-25 — — US disclosed
US-20190119230-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2019-04-25 — — US disclosed
WO-2016126725-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-08-11 — — WO disclosed
US-20160222028-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2016-08-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190119228-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 TDP1 818/4885KDM4E 242/4885ALDH1A1 1918/4885
US-11891365-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 TDP1 818/4885KDM4E 242/4885ALDH1A1 1918/4885
US-10442776-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 TDP1 818/4885KDM4E 242/4885ALDH1A1 1918/4885
US-10464910-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 TDP1 818/4885KDM4E 242/4885ALDH1A1 1918/4885
US-10457652-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 TDP1 818/4885KDM4E 242/4885ALDH1A1 1918/4885
US-20190119227-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 TDP1 818/4885KDM4E 242/4885ALDH1A1 1918/4885
US-20190127339-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 TDP1 818/4885KDM4E 242/4885ALDH1A1 1918/4885
US-20190119229-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 TDP1 818/4885KDM4E 242/4885ALDH1A1 1918/4885
US-20190119230-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 TDP1 818/4885KDM4E 242/4885ALDH1A1 1918/4885
US-10464909-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 TDP1 818/4885KDM4E 242/4885ALDH1A1 1918/4885
US-10988450-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 TDP1 818/4885KDM4E 242/4885ALDH1A1 1918/4885
US-20160222028-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 TDP1 818/4885KDM4E 242/4885ALDH1A1 1918/4885
US-10421732-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 TDP1 818/4885KDM4E 242/4885ALDH1A1 1918/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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