SCHEMBL4348296

SCHEMBL4348296

COC(=O)c1nc2cccc(O)c2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
APP P05067 1/20 0.46
TSHR P16473 4/20 0.43
LMNA P02545 1/20 0.43
DYRK1A Q13627 2/20 0.42
DYRK1B Q9Y463 1/20 0.42
MAPT P10636 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ILK Q13418 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.40
CRHBP P24387 1/20 0.40

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
SCHEMBL19224594 0.84 ALDH1A1 (0.59) ALDH1A1CA12CA1CA2CA7
SCHEMBL4342655 0.78 APP (0.42) ALDH1A1CA2APPTSHRDYRK1A
SCHEMBL4345364 0.77 ALDH1A1 (1.00) ALDH1A1TSHRLMNADYRK1AMAPT
SCHEMBL4348292 0.76 ALDH1A1 (0.60) ALDH1A1CA12CA1CA2CA7
SCHEMBL10477449 0.74 ALDH1A1 (0.50) ALDH1A1TSHRLMNADYRK1ADYRK1B
SCHEMBL24960020 0.73 ALDH1A1 (0.60) ALDH1A1TSHRLMNAMAPTNPC1
SCHEMBL10477382 0.71 ALDH1A1 (0.47) ALDH1A1TSHRLMNADYRK1ADYRK1B
SCHEMBL5125588 0.71 HPGD (0.55) ALDH1A1CA12CA1CA2CA7
SCHEMBL20832544 0.70 ALDH1A1 (0.67) ALDH1A1TSHRLMNAMAPTNPC1
SCHEMBL19783237 0.70 ILK (0.54) ALDH1A1TSHRLMNAMAPTILK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353111-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2016-05-05 US disclosed
US-9255085-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-02-09 US disclosed
US-20150232451-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2015-08-20 US disclosed
EP-2276761-B1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS RIGEL PHARMACEUTICALS INC (US) 2015-07-29 EP disclosed
US-9062052-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-20150011582-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2015-01-08 US disclosed
US-8871770-B2 Carboxamide compounds and methods for using the same MIDCAP FINANCIAL TRUST 2014-10-28 US disclosed
US-8785449-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-20140148467-A1 Carboxamide Compounds and Methods for Using the Same RIGEL PHARMACEUTICALS, INC. (US) 2014-05-29 US disclosed
US-20130023660-A1 Carboxamide Compounds and Methods for Using the Same RIGEL PHARMACEUTICALS, INC. (US) 2013-01-24 US disclosed
US-8314107-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-11-05 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 (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-20140148467-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 ALDH1A1 1247/4885CA12 4026/4885CA1 3230/4885
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 ALDH1A1 1247/4885CA12 4026/4885CA1 3230/4885
US-20130023660-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 ALDH1A1 1247/4885CA12 4026/4885CA1 3230/4885
US-20150232451-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 ALDH1A1 1247/4885CA12 4026/4885CA1 3230/4885
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same PC, AK2, PRKAA2 ALDH1A1 1247/4885CA12 4026/4885CA1 3230/4885
US-20150011582-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 ALDH1A1 1247/4885CA12 4026/4885CA1 3230/4885

“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.