SCHEMBL3093033

SCHEMBL3093033

Cc1cc(OCCC2SC(NC3CC4C=CC3C4)=NC2=O)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
SETD1B Q9UPS6 1/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MCL1 Q07820 1/20 0.33
KDM4E B2RXH2 3/20 0.32
POLB P06746 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SENP2 Q9HC62 1/20 0.32

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
SCHEMBL6498822 0.82 PPARG (0.33) KDM4E
SCHEMBL6506344 0.81 CISD1 (0.33) NPC1MEN1PKMKMT2AALDH1A1
SCHEMBL6503874 0.78 KMT2A (0.36) KDM4EKMT2AALDH1A1
SCHEMBL6508566 0.77 ALDH1A1 (0.38) LMNATP53POLBTDP1SMN1; SMN2
SCHEMBL6505095 0.76 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL6499622 0.75 HPGD (0.35) GAALMNANPC1TDP1SMN1; SMN2
SCHEMBL6506231 0.75 KMT2A (0.37) GAAKDM4EPOLBPKMKMT2A
SCHEMBL6429217 0.74 EPHX2 (0.35) GAATDP1ALDH1A1
SCHEMBL1605406 0.74 EPHX2 (0.32) GAATDP1ALDH1A1
SCHEMBL6501528 0.74 L3MBTL1 (0.36) LMNANPC1TP53KDM4ETDP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO claimed
US-8086644-B2 Simplifying complex data stream problems involving feature extraction from noisy data INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-12-27 US disclosed
US-7805445-B2 Simplifying complex data stream problems involving feature extraction from noisy data INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-09-28 US disclosed
US-20100011192-A1 SIMPLIFYING COMPLEX DATA STREAM PROBLEMS INVOLVING FEATURE EXTRACTION FROM NOISY DATA INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-01-14 US disclosed
US-20100011015-A1 SIMPLIFYING COMPLEX DATA STREAM PROBLEMS INVOLVING FEATURE EXTRACTION FROM NOISY DATA INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-01-14 US disclosed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO 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 (1 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 GAA 522/4885LMNA 1964/4885GPR84 955/4885

“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.