SCHEMBL4000600

SCHEMBL4000600

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ KDM1A O60341 1/20 0.52
▸ MMP2 P08253 6/20 0.51
▸ MMP9 P14780 4/20 0.51
▸ MMP1 P03956 1/20 0.51
▸ MMP3 P08254 1/20 0.51
▸ MMP7 P09237 1/20 0.51
▸ MMP13 P45452 1/20 0.51
▸ CCKAR P32238 1/20 0.50
▸ CCKBR P32239 1/20 0.50
▸ HSD17B2 P37059 1/20 0.50
▸ MCL1 Q07820 1/20 0.48
▸ ITGB1 P05556 3/20 0.47
▸ ITGA4 P13612 3/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ METAP2 P50579 1/20 0.45
▸ ADAMTS4 O75173 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ KDM4A O75164 1/20 0.45

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
SCHEMBL3980299 1.00 ALDH1A1 (0.53) ALDH1A1MAPTKDM1AMMP2MMP9
SCHEMBL3998842 0.94 ALDH1A1 (0.48) ALDH1A1MAPTKDM1AMMP2MMP9
SCHEMBL3973681 0.92 KDM1A (0.50) ALDH1A1MAPTKDM1AMMP2MMP9
SCHEMBL5926853 0.92 KDM1A (0.50) ALDH1A1MAPTKDM1AMMP2MMP9
SCHEMBL5927388 0.92 MMP2 (0.60) KDM1AMMP2MMP9MMP1MMP3
SCHEMBL5926682 0.90 ALDH1A1 (0.53) ALDH1A1MAPTMMP2MMP9CCKAR
SCHEMBL3989496 0.89 ALDH1A1 (0.47) ALDH1A1MAPTKDM1AMMP2MMP9
SCHEMBL3995335 0.89 ALDH1A1 (0.47) ALDH1A1MAPTKDM1AMMP2MMP9
SCHEMBL5926727 0.89 MMP2 (0.52) KDM1AMMP2MMP9MMP1MMP3
SCHEMBL5927138 0.88 MEN1 (0.47) ALDH1A1MAPTKDM1AMMP2MMP9

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
EP-1660439-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-05-31 — — EP claimed
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 — — EP claimed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US claimed
WO-2005014533-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — WO claimed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 — — US claimed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 — — WO claimed
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 — — US disclosed
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 — — US disclosed
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 — — US disclosed
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 — — US disclosed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 — — US disclosed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US disclosed
WO-2005014533-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — 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 (3 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 ALDH1A1 3511/4885MAPT 3058/4885KDM1A 2927/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 ALDH1A1 2142/4885MAPT 4316/4885KDM1A 2166/4885
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 ALDH1A1 2886/4885MAPT 4777/4885KDM1A 1640/4885

“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.

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