Sugi Predict

Sugi Predict / Compounds / SCHEMBL1619449

SCHEMBL1619449

SCHEMBL1619449

O=C1c2ccccc2C(=O)N1Cc1cccs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.68
▸ TSHR P16473 2/20 0.68
▸ CYP1B1 Q16678 1/20 0.62
▸ NPC1 O15118 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ GLA P06280 1/20 0.48
▸ BRCA1 P38398 1/20 0.48
▸ CASP3 P42574 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46

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
SCHEMBL2398501 0.82 GLA (0.52) ALDH1A1TSHRCYP1B1MEN1KMT2A
SCHEMBL4597225 0.82 CES1 (0.59) ALDH1A1TSHRCYP1B1TP53SMN1; SMN2
SCHEMBL8098655 0.80 TDP1 (0.51) ALDH1A1TSHRRAB9ASMN1; SMN2MEN1
SCHEMBL8099312 0.78 TDP1 (0.58) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL8105240 0.77 TDP1 (0.60) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL8107491 0.77 TDP1 (0.60) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL8101619 0.77 TDP1 (0.60) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL8100999 0.77 TDP1 (0.60) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL8100601 0.77 TDP1 (0.60) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL8100611 0.77 TDP1 (0.60) ALDH1A1TSHRLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 — — US disclosed
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 — — EP disclosed
US-7928246-B2 Dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 — — US disclosed
US-7928246-B2 Dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 — — US disclosed
US-7928246-B2 Dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 — — US disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 — — US disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 — — US disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 — — US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 — — US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 — — US disclosed
EP-1216245-A1 PHARMACEUTICALLY ACTIVE SULFONYL HYDRAZIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2002-06-26 — — EP disclosed
WO-2001023382-A1 PHARMACEUTICALLY ACTIVE SULFONYL HYDRAZIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-05 — — WO disclosed
EP-1088822-A1 Pharmaceutically active sulfonyl hydrazide derivatives Applied Research Systems ARS Holding N.V. (AN) 2001-04-04 — — EP disclosed
US-5874472-A Aminoacid derivatives as no synthase inhibitors GLAXO WELLCOME INC. (US) 1999-02-23 — — US disclosed
EP-0705257-B1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS WELLCOME FOUND (GB) 1998-03-11 — — EP disclosed
EP-0705257-A1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1996-04-10 — — EP disclosed
WO-1995000505-A1 AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-01-05 — — WO disclosed
EP-0020173-B1 IMIDAZOLE GUANIDINES, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1983-02-09 — — EP disclosed
EP-0020173-A1 Imidazole guanidines, their preparation and compositions containing them MERCK & CO. INC. (US) 1980-12-10 — — EP disclosed
US-4220654-A Cyclic imidazole cyanoguanidines MERCK & CO., INC. (US) 1980-09-02 — — 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 (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-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 ALDH1A1 1342/4885TSHR 3338/4885CYP1B1 1510/4885

“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.