SCHEMBL2449062

SCHEMBL2449062

CC1(C)OB(c2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CYP2C9 P11712 2/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
MAPT P10636 6/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL15775235 0.87 KDM4E (0.56) CA1CA2CA9CA12CA3
SCHEMBL15615767 0.86 CA1 (0.43) CA1CA2CA9CA12CA3
SCHEMBL15615777 0.85 NAMPT (0.44) CA1CA2CA9CA12CA3
SCHEMBL14321940 0.84 SMN1; SMN2 (0.46) CYP2C9MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4648682 0.83 TSHR (0.47) POLBCA1CA2CA9CA12
SCHEMBL15615481 0.83 CHRM4 (0.40) CA1CA2CA9CA12CA3
SCHEMBL15573065 0.82 KDM4E (0.44) CA1CA2CA9CA12CA3
SCHEMBL24494940 0.81 CA1 (0.43) CA1CA2CA9CA12CA3
SCHEMBL19583 0.80 ALDH1A1 (0.49) MAPTKMT2AGAAKDM4EALDH1A1
SCHEMBL15788294 0.80 NPSR1 (0.47) POLBCA1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109864-A1 SUBSTITUTED PYRAZOLYL PIPERIDINE CARBOXYLIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 2024-04-04 US disclosed
WO-2022122916-A1 SUBSTITUTED PYRAZOLYL PIPERIDINE CARBOXYLIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 2022-06-16 WO disclosed
US-10052330-B2 Substituted pyrido[3,4-b]pyrazines as Syk inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2018-08-21 US disclosed
EP-2718293-B1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LTD (CN) 2017-10-25 EP disclosed
EP-2718293-B1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LTD (CN) 2017-10-25 EP disclosed
US-20170152258-A9 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2017-06-01 US disclosed
US-20170152258-A9 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2017-06-01 US disclosed
US-20170152258-A9 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2017-06-01 US disclosed
US-20160324864-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED 2016-11-10 US disclosed
US-20160324864-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED 2016-11-10 US disclosed
US-20140121200-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2014-05-01 US disclosed
US-20140121200-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2014-05-01 US disclosed
US-20140121200-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2014-05-01 US disclosed
EP-2718293-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS Hutchison Medipharma Limited (CN) 2014-04-16 EP disclosed
US-8530477-B2 Tropane urea derivatives, preparation thereof and therapeutic application thereof as modulators of the activity of 11betaHSD1 SANOFI (FR) 2013-09-10 US disclosed
EP-2364311-B1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 SANOFI SA (FR) 2013-07-03 EP disclosed
WO-2012167733-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2012-12-13 WO disclosed
US-20110294809-A1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 SANOFI-AVENTIS (FR) 2011-12-01 US disclosed
EP-2364311-A1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 SANOFI (FR) 2011-09-14 EP disclosed
WO-2010049635-A1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 SANOFI-AVENTIS (FR) 2010-05-06 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-20160324864-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS SYK, BTK, LYN POLB 2649/4885CA1 4845/4885CA2 3753/4885
US-20240109864-A1 SUBSTITUTED PYRAZOLYL PIPERIDINE CARBOXYLIC ACIDS PLOD3, PDK4, PDF POLB 1276/4885CA1 4420/4885CA2 3087/4885
US-20170152258-A9 Substituted Pyridopyrazines as Syk Inhibitors SYK, BTK, LYN POLB 2234/4885CA1 4792/4885CA2 3713/4885
US-10052330-B2 Substituted pyrido[3,4-b]pyrazines as Syk inhibitors SYK, BTK, TYRO3 POLB 2465/4885CA1 4814/4885CA2 3734/4885
US-20140121200-A1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS SYK, BTK, LYN POLB 2852/4885CA1 4829/4885CA2 3813/4885
US-20110294809-A1 TROPANE UREA DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AS MODULATORS OF THE ACTIVITY OF 11BETAHSD1 HSD11B1, HSD17B1, HSD17B11 POLB 2155/4885CA1 2675/4885CA2 4297/4885

“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.