Sugi Predict

Sugi Predict / Compounds / SCHEMBL550228

SCHEMBL550228

SCHEMBL550228

CCOC(=O)c1cc(O)ccc1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.74
▸ CA1 P00915 6/20 0.74
▸ CA2 P00918 6/20 0.74
▸ CA7 P43166 6/20 0.74
▸ CA9 Q16790 6/20 0.74
▸ CA14 Q9ULX7 6/20 0.74
▸ ESR1 P03372 2/20 0.56
▸ ESR2 Q92731 2/20 0.56
▸ TSHR P16473 1/20 0.55
▸ MIF P14174 1/20 0.54
▸ PFKFB3 Q16875 1/20 0.54
▸ MAOA P21397 1/20 0.54
▸ MAOB P27338 1/20 0.54
▸ EGFR P00533 2/20 0.50
▸ NR1H2 P55055 1/20 0.50
▸ NR1H3 Q13133 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ GAA P10253 1/20 0.49

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
SCHEMBL10449048 0.87 CA12 (0.77) CA12CA1CA2CA7CA9
SCHEMBL1656743 0.85 CA12 (0.74) CA12CA1CA2CA7CA9
SCHEMBL29457603 0.85 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL39259 0.85 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL2453762 0.85 ESR1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL4834369 0.83 MEN1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL11336214 0.82 TSHR (0.60) CA12CA1CA2CA7CA9
SCHEMBL3481145 0.82 HPGD (0.58) CA12CA1CA2CA7CA9
SCHEMBL10743287 0.82 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL15465375 0.82 CA1 (0.70) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109985145-B Pregnancy promoting mixture for dredging pipe and preparation method thereof 福建省南平市人民医院（福建省南平市中医院） 2021-07-23 — — CN disclosed
CN-109985125-B Oral liquid for assisting pregnancy and preparation method thereof 福建省南平市人民医院（福建省南平市中医院） 2021-07-09 — — CN disclosed
CN-111358881-A Medicine for treating snake bite and preparation method thereof 福建省南平市人民医院（福建省南平市中医院） 2020-07-03 — — CN disclosed
EP-2882749-B1 4-METHYL-2,3,5,9,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALENES BOEHRINGER INGELHEIM INT (DE) 2018-04-04 — — EP disclosed
EP-2915804-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2015-09-09 — — EP disclosed
US-9085584-B2 Substituted pyrido[3,2-E][1,2,4]-triazolo[4,3-A]pyrazines for the treatment of central nervous system disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-21 — — US disclosed
US-9085584-B2 Substituted pyrido[3,2-E][1,2,4]-triazolo[4,3-A]pyrazines for the treatment of central nervous system disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-21 — — US disclosed
EP-2215074-B1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES US HEALTH (US) 2014-02-19 — — EP disclosed
EP-2215074-B1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES US HEALTH (US) 2014-02-19 — — EP disclosed
US-20140045856-A1 4-Methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-13 — — US disclosed
US-6956045-B2 Thiazolyl inhibitors of Tec family tyrosine kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-18 — — US disclosed
US-6953795-B2 Thiazolyl inhibitors of Tec family tyrosine kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-11 — — US disclosed
US-20040110752-A1 Thiazolyl inhibitors of Tec family tyrosine kinases BARRISH JOEL C (US) 2004-06-10 — — US disclosed
US-20040077695-A1 Thiazolyl inhibitors of Tec family tyrosine kinases BARRISH JO I C (US) 2004-04-22 — — US disclosed
US-20040067990-A1 Thiazolyl inhibitors of Tec family tyrosine kinases BARRISH JOEL C (US) 2004-04-08 — — US disclosed
US-20040067989-A1 Thiazolyl inhibitors of Tec family tyrosine kinases BARRISH JOEL C (US) 2004-04-08 — — US disclosed
US-6706717-B2 ANTICANCER AGENTS; IMMUNOLOGY DISEASES; ANTIALLERGENS; ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY 2004-03-16 — — US disclosed
EP-1347971-A1 THIAZOLYL INHIBITORS OF TEC FAMILY TYROSINE KINASES Bristol-Myers Squibb Company (US) 2003-10-01 — — EP disclosed
US-20030069238-A1 Thiazolyl inhibitors of Tec family tyrosine kinases BRISTOL-MYERS SQUIBB COMPANY 2003-04-10 — — US disclosed
WO-2002050071-A1 THIAZOLYL INHIBITORS OF TEC FAMILY TYROSINE KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-06-27 — — 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-20040077695-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK CA12 3848/4885CA1 3926/4885CA2 2395/4885
US-20040067990-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK CA12 3848/4885CA1 3926/4885CA2 2395/4885
US-20040067989-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK CA12 3848/4885CA1 3926/4885CA2 2395/4885
US-20030069238-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK CA12 3848/4885CA1 3926/4885CA2 2395/4885
US-20140045856-A1 4-Methyl-2,3,5,9,9b-pentaaza-cyclopenta[a]naphthalenes PDE12, PDE2A, PDE3A CA12 1661/4885CA1 1649/4885CA2 592/4885
US-20040110752-A1 Thiazolyl inhibitors of Tec family tyrosine kinases TEC, LCK, LTK CA12 3848/4885CA1 3926/4885CA2 2395/4885

“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.