SCHEMBL77082

SCHEMBL77082

CCOC(=O)C(C#N)=C(SC)SC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
TSHR P16473 2/20 0.50
CYP2C9 P11712 1/20 0.43
MAPT P10636 7/20 0.42
KDM4E B2RXH2 4/20 0.42
RAB9A P51151 3/20 0.42
XBP1 P17861 2/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
USP2 O75604 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL10491660 0.84 THRB (0.46) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL11438962 0.84 ALDH1A1 (0.37) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL2115865 0.83 ALDH1A1 (0.61) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL1754710 0.83 ALDH1A1 (0.61) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL13321917 0.83 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL11620862 0.82 ALDH1A1 (0.41) ALDH1A1TSHRMAPTRAB9AXBP1
SCHEMBL12389858 0.81 ALDH1A1 (0.47) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL11982570 0.81 ALDH1A1 (0.47) ALDH1A1TSHRCYP2C9MAPTKDM4E
SCHEMBL11621564 0.80 ALDH1A1 (0.39) ALDH1A1TSHRMAPTRAB9AXBP1
SCHEMBL7491262 0.79 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C9MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10879668-B1 Solid state laser with conjugated oligomer active material KING SAUD UNIVERSITY (SA) 2020-12-29 US claimed
US-20100329998-A1 NOVEL HETEROCYCLES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2010-12-30 US claimed
US-20250326769-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT INC (US) 2025-10-23 US disclosed
EP-4605397-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS Nuvalent, Inc. (US) 2025-08-27 EP disclosed
US-20250250283-A1 COMPOUND CAPABLE OF REGULATING AND CONTROLLING ACTIVITY OF 15-PGDH, AND PREPARATION METHOD THEREFOR SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2025-08-07 US disclosed
EP-4371982-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2024-05-22 EP disclosed
WO-2024086634-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT, INC. (US) 2024-04-25 WO disclosed
EP-3583096-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-03-27 EP disclosed
US-11840057-B2 Metal organic framework modifications of structural fibers EMBRY-RIDDLE AERONAUTICAL UNIVERSITY, INC. (US) 2023-12-12 US disclosed
WO-2023198141-A1 COMPOUND CAPABLE OF REGULATING AND CONTROLLING ACTIVITY OF 15-PGDH, AND PREPARATION METHOD THEREFOR 赛诺哈勃药业(成都)有限公司 2023-10-19 WO disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-6518266-B1 1- Aryl-3-thioalkyl pyrazoles, the synthesis thereof and the use thereof as insecticides 3-DIMENSIONAL PHARMACEUTICALS 2003-02-11 US disclosed
US-20020045635-A1 Novel mGluR antagonists and a method for their synthesis HOFFMANN-LA ROCHE, INC. 2002-04-18 US disclosed
US-6369222-B1 NITRO- AND CYANO-1,2,4,5-TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE DERIVATIVES; BRAIN, EYE, MUSCULAR, PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. 2002-04-09 US disclosed
US-20020025957-A1 Lactam inhibitors of factor Xa and method BRISTOL-MYERS SQUIBB COMPANY 2002-02-28 US disclosed
WO-2002006288-A1 TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed
US-6218385-B1 FOR THERAPY OR PROPHYLAXIS OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS SUCH AS EPILEPSY, STROKE, CHRONIC AND ACUTE PAIN, PSYCHOSIS, SCHIZOPHRENIA, ALZHEIMER'S DISEASE, COGNITIVE DISORDERS AND MEMORY DEFICITS HOFFMANN-LA ROCHE INC. 2001-04-17 US disclosed
EP-1074549-A2 Tetrahydro-benzo(d)azepines and their use as antagonists at metabotropic glutamate receptors F. HOFFMANN-LA ROCHE AG (CH) 2001-02-07 EP disclosed
US-5468750-A Antiinflammatory agents and autoimmune diseases ELF SANOFI (FR) 1995-11-21 US disclosed
US-5360799-A Free radical inhibitors ELF SANOFI (FR) 1994-11-01 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 (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-20250326769-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS ROS1, MCL1, ALK ALDH1A1 118/4885TSHR 3997/4885CYP2C9 444/4885
US-20100329998-A1 NOVEL HETEROCYCLES UACA, GPR4, CASP4 ALDH1A1 2623/4885TSHR 2528/4885CYP2C9 696/4885
US-20020045635-A1 Novel mGluR antagonists and a method for their synthesis GRM1, GRM5, GRM2 ALDH1A1 3041/4885TSHR 2064/4885CYP2C9 2255/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC ALDH1A1 2364/4885TSHR 4174/4885CYP2C9 4062/4885
US-20250250283-A1 COMPOUND CAPABLE OF REGULATING AND CONTROLLING ACTIVITY OF 15-PGDH, AND PREPARATION METHOD THEREFOR CYP11B1, CYP51A1, CYP11B2 ALDH1A1 242/4885TSHR 4215/4885CYP2C9 192/4885
US-20020025957-A1 Lactam inhibitors of factor Xa and method F9, F7, F11 ALDH1A1 2640/4885TSHR 1530/4885CYP2C9 53/4885

“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.