Sugi Predict

Sugi Predict / Compounds / SCHEMBL645132

SCHEMBL645132

SCHEMBL645132

CCS(=O)(=O)c1cccc(OBOc2cccc(S(=O)(=O)CC)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 2/20 0.48
▸ NR1H2 P55055 6/20 0.41
▸ NR1H3 Q13133 6/20 0.41
▸ BRD4 O60885 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ MEP1B Q16820 1/20 0.36

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
SCHEMBL2612652 0.86 PSIP1 (0.46) PSIP1NR1H2NR1H3BRD4POLB
SCHEMBL6208314 0.81 HSD11B1 (0.53) PSIP1POLBMEN1GAAMAPT
SCHEMBL934211 0.81 DDB1 (0.44) NR1H2NR1H3
SCHEMBL934549 0.80 ALDH1A1 (0.49) BRD4POLBALDH1A1MAPTKMT2A
SCHEMBL14773591 0.80 TP53 (0.52) PSIP1NR1H2NR1H3ALDH1A1MEN1
SCHEMBL18184671 0.79 PSIP1 (0.59) PSIP1NR1H2NR1H3
SCHEMBL3995696 0.79 NFE2L2 (0.39) GAAMEP1B
SCHEMBL10741172 0.79 PSIP1 (0.48) PSIP1NR1H2NR1H3BRD4POLB
SCHEMBL17263850 0.78 PSIP1 (0.68) PSIP1NR1H2NR1H3BRD4ALDH1A1
SCHEMBL3335415 0.78 CA2 (0.59) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 — — US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 — — US disclosed
US-8278450-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-02 — — US disclosed
US-20120095233-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2012-04-19 — — US disclosed
US-8119655-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-21 — — US disclosed
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 — — EP disclosed
EP-2223925-A1 Kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2010-09-01 — — EP disclosed
US-20100190816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 — — US disclosed
US-20100160633-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 — — US disclosed
US-20100120717-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 — — US disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 — — WO disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 — — US disclosed
WO-2007044779-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-04-19 — — WO disclosed
US-20070066675-A1 5-Aryl-indan-1-one and analogs useful as progesterone receptor modulators WYETH (US) 2007-03-22 — — US disclosed
US-20070066637-A1 5-Aryl-indan-1-one oximes and analogs useful as progesterone receptor modulators WYETH (US) 2007-03-22 — — US disclosed
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 — — US disclosed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 — — WO disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 — — EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 — — WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 — — 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 (10 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-20120095233-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 PSIP1 3076/4885NR1H2 3919/4885NR1H3 3722/4885
US-20070117816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 PSIP1 3354/4885NR1H2 3849/4885NR1H3 3521/4885
US-20070066675-A1 5-Aryl-indan-1-one and analogs useful as progesterone receptor modulators PGR, CYP19A1, GNRHR PSIP1 3743/4885NR1H2 52/4885NR1H3 83/4885
US-20100160633-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 PSIP1 3076/4885NR1H2 3919/4885NR1H3 3722/4885
US-20070066637-A1 5-Aryl-indan-1-one oximes and analogs useful as progesterone receptor modulators CYP19A1, PGR, GNRHR PSIP1 4433/4885NR1H2 64/4885NR1H3 93/4885
US-20100190816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 PSIP1 3354/4885NR1H2 3849/4885NR1H3 3521/4885
US-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 PSIP1 3419/4885NR1H2 1/4885NR1H3 2/4885
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof SFRP1, SOS1, FZD7 PSIP1 33/4885NR1H2 467/4885NR1H3 784/4885
US-20100120717-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 PSIP1 3351/4885NR1H2 3259/4885NR1H3 3155/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 PSIP1 3076/4885NR1H2 3919/4885NR1H3 3722/4885

“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.