SCHEMBL5529970

SCHEMBL5529970

Cn1nnnc1SCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
POLB P06746 2/20 0.55
GAA P10253 2/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
HPGD P15428 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL5533990 0.85 ALDH1A1 (0.60) ALDH1A1POLBGAAALOX15HSD17B10
SCHEMBL10403688 0.85 ALDH1A1 (0.60) ALDH1A1POLBGAAALOX15HSD17B10
SCHEMBL11518064 0.84 ALDH1A1 (0.58) ALDH1A1POLBGAAALOX15HSD17B10
SCHEMBL11166347 0.84 ALDH1A1 (0.58) ALDH1A1POLBGAAALOX15HSD17B10
SCHEMBL9547388 0.84 ALDH1A1 (0.58) ALDH1A1POLBGAAALOX15HSD17B10
SCHEMBL10786625 0.82 ALDH1A1 (0.56) ALDH1A1POLBGAAALOX15HSD17B10
SCHEMBL10457059 0.82 ALDH1A1 (0.56) ALDH1A1POLBGAAALOX15HSD17B10
SCHEMBL9805552 0.81 ALDH1A1 (0.55) ALDH1A1POLBGAAALOX15HSD17B10
SCHEMBL6086755 0.81 ALDH1A1 (0.58) ALDH1A1POLBGAAALOX15HSD17B10
SCHEMBL14605923 0.81 ALDH1A1 (0.55) ALDH1A1POLBGAAALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662205-B2 Cyclic boronic acid ester derivatives and therapeutic uses thereof QPEX BIOPHARMA, INC. (US) 2020-05-26 US disclosed
US-20190084999-A1 CYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA, INC. 2019-03-21 US disclosed
US-20170305824-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2017-10-26 US disclosed
US-9642869-B2 Boronic acid derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2017-05-09 US disclosed
US-9642869-B2 Boronic acid derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2017-05-09 US disclosed
US-9642869-B2 Boronic acid derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2017-05-09 US disclosed
WO-2016081297-A1 CYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2016-05-26 WO disclosed
EP-2941246-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF Rempex Pharmaceuticals, Inc. (US) 2015-11-11 EP disclosed
US-9101638-B2 Boronic acid derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-9101638-B2 Boronic acid derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-20120122889-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-17 US disclosed
US-5811419-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1998-09-22 US disclosed
US-5494666-A BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
US-4766120-A ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1988-08-23 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed
US-4663323-A Tetrazole derivatives, anti-ulcer composition containing the same and method for treating ulcers OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-05-05 US disclosed
EP-0035046-B1 NOVEL TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-10-02 EP disclosed
US-4540703-A Tetrazole derivatives, anti-ulcer composition containing the same and method for treating ulcers OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1985-09-10 US disclosed
EP-0035046-A1 Novel tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 EP 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 (4 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-20120122889-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 ALDH1A1 4844/4885POLB 2233/4885GAA 1664/4885
US-20170305824-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 ALDH1A1 4840/4885POLB 2287/4885GAA 1670/4885
US-20190084999-A1 CYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BCL6, BCL9 ALDH1A1 2726/4885POLB 1093/4885GAA 152/4885
US-10662205-B2 Cyclic boronic acid ester derivatives and therapeutic uses thereof BCL6B, BCL6, BCL9 ALDH1A1 2726/4885POLB 1093/4885GAA 152/4885

“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.