SCHEMBL722542

SCHEMBL722542

COC(=O)c1cnc2c(c1O)CCNC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
CHRM3 P20309 1/20 0.38
NNMT P40261 1/20 0.33
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
SPR P35270 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
KDR P35968 1/20 0.32
MAP2K1 Q02750 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL29407302 1.00 TSHR (0.38) TSHRCHRM3NNMTKDM4EALDH1A1
SCHEMBL722555 0.85 TSHR (0.37) TSHRCHRM3NNMTKDM4EALDH1A1
SCHEMBL18779359 0.80 ACHE (0.43) TSHRKDM4EALDH1A1NPC1HPGD
SCHEMBL724553 0.77 NNMT (0.38) TSHRCHRM3NNMTKDM4EALDH1A1
SCHEMBL6606494 0.75 ALDH1A1 (0.42) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL15502970 0.74 CHRM3 (0.43) TSHRCHRM3KDM4ELMNAGLA
SCHEMBL29407288 0.74 GRIA1 (0.44) CHRM3KDM4EALDH1A1NPC1HPGD
SCHEMBL22981511 0.74 GRIA1 (0.44) CHRM3KDM4EALDH1A1NPC1HPGD
SCHEMBL10272251 0.74 ERN1 (0.34) HTR2C
SCHEMBL10209172 0.71 CHRM3 (0.40) TSHRCHRM3KDM4EALDH1A1HPGD

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 US disclosed
US-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 US disclosed
US-11613527-B2 Enzyme inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2023-03-28 US disclosed
EP-4010333-A1 PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-15 EP disclosed
US-20220048894-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-02-17 US disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
US-9249142-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-02-02 US disclosed
US-20150105418-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-04-16 US disclosed
US-8952163-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-8952163-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
US-20140142108-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2014-05-22 US disclosed
US-20140142108-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2014-05-22 US disclosed
US-8471026-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
US-8471026-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 US disclosed
WO-2012027564-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 WO disclosed
WO-2012027564-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 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 (6 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-20230250080-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 TSHR 1726/4885CHRM3 1314/4885NNMT 1370/4885
US-11613527-B2 Enzyme inhibitors SERPINB1, KLKB1, SERPINE1 TSHR 1726/4885CHRM3 1314/4885NNMT 1370/4885
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 TSHR 1836/4885CHRM3 2267/4885NNMT 3017/4885
US-20220048894-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 TSHR 1726/4885CHRM3 1314/4885NNMT 1370/4885
US-20140142108-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 TSHR 1836/4885CHRM3 2267/4885NNMT 3017/4885
US-20150105418-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 TSHR 1836/4885CHRM3 2267/4885NNMT 3017/4885

“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.