SCHEMBL1604539

SCHEMBL1604539

COc1ccc(Br)c(S(C)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
OPRD1 P41143 1/20 0.41
PKM P14618 1/20 0.41
PTGS2 P35354 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
S1PR4 O95977 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
S1PR1 P21453 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL27703631 0.87 L3MBTL1 (0.45) L3MBTL1OPRD1PKMCA12CA1
Hydrochloric Acid SCHEMBL27601630 0.85 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2OPRD1PKMCA12
SCHEMBL28767740 0.85 CA2 (0.50) L3MBTL1PTGS2CA12CA1CA2
SCHEMBL2804046 0.83 L3MBTL1 (0.45) L3MBTL1OPRD1PKMCA12CA1
SCHEMBL9881333 0.78 SMN1; SMN2 (0.53) L3MBTL1SMN1; SMN2PKMALDH1A1LMNA
SCHEMBL5960683 0.78 SMN1; SMN2 (0.67) L3MBTL1SMN1; SMN2CA12CA1CA2
SCHEMBL2804042 0.78 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2OPRD1ALDH1A1LMNA
SCHEMBL23933026 0.77 ALDH1A1 (0.50) L3MBTL1SMN1; SMN2PKMPTGS2CA1
SCHEMBL5376788 0.77 ALDH1A1 (0.47) L3MBTL1SMN1; SMN2PKMPTGS2ALDH1A1
SCHEMBL5102193 0.77 SMN1; SMN2 (0.49) L3MBTL1SMN1; SMN2PKMPTGS2ALDH1A1

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-20190010158-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND TAIHO PHARMACETUICAL CO., LTD. (JP) 2019-01-10 US disclosed
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-01-08 US disclosed
EP-3395345-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND Taiho Pharmaceutical Co., Ltd. (JP) 2018-10-31 EP disclosed
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-06-14 US disclosed
US-9963456-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD (JP) 2018-05-08 US disclosed
EP-3103802-B1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO LTD (JP) 2017-11-08 EP disclosed
US-20170066772-A1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-03-09 US disclosed
EP-3103802-A1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT Taiho Pharmaceutical Co., Ltd. (JP) 2016-12-14 EP disclosed
US-8242144-B2 Stilbenes and chalcones for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-08-14 US disclosed
US-20110082176-A1 Stilbenes and Chalcones for the Prevention and Treatment of Cardiovascular Diseases RESVERLOGIX CORP. 2011-04-07 US disclosed
US-7846915-B2 Stilbenes and chalcones for the prevention and treatment of cardiovascular diseases Resverlogix Corporation (CA) 2010-12-07 US disclosed
US-20060205792-A1 Stilbenes and chalcones for the prevention and treatment of cardiovascular diseases HEPALINK (HONG KONG) LIMITED (HK) 2006-09-14 US disclosed
WO-2006045010-A2 STILBENES AND CHALCONES FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2006-04-27 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-20190010158-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND MCL1, TP53, DPYD L3MBTL1 4179/4885SMN1; SMN2 3823/4885OPRD1 3535/4885
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof KRAS, DPYD, PSTPIP2 L3MBTL1 4365/4885SMN1; SMN2 3044/4885OPRD1 4722/4885
US-20060205792-A1 Stilbenes and chalcones for the prevention and treatment of cardiovascular diseases APOB, APOL1, HDLBP L3MBTL1 2836/4885SMN1; SMN2 3088/4885OPRD1 4583/4885
US-20170066772-A1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT WASHC5, NME1, NHERF1 L3MBTL1 4841/4885SMN1; SMN2 3033/4885OPRD1 4752/4885
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF KRAS, DPYD, PSTPIP2 L3MBTL1 4365/4885SMN1; SMN2 3044/4885OPRD1 4722/4885
US-20110082176-A1 Stilbenes and Chalcones for the Prevention and Treatment of Cardiovascular Diseases APOB, APOL1, HDLBP L3MBTL1 2836/4885SMN1; SMN2 3088/4885OPRD1 4583/4885

“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.