SCHEMBL2919702

SCHEMBL2919702

COc1ccc(C(=O)O)cc1N=C=S

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA12 O43570 2/20 0.57
CA4 P22748 2/20 0.57
CA6 P23280 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA14 Q9ULX7 2/20 0.57
TPMT P51580 1/20 0.57
HTT P42858 2/20 0.53
LMNA P02545 2/20 0.53
RAB9A P51151 2/20 0.53
MAPK1 P28482 1/20 0.53
TSHR P16473 4/20 0.50
TTR P02766 2/20 0.48
PKM P14618 2/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL6118124 0.86 MAPK1 (0.50) CA1CA2CA12CA4CA6
SCHEMBL6118516 0.86 MAPT (0.53) CA1CA2CA12CA4CA6
SCHEMBL13219859 0.80 CA12 (0.65) CA1CA2CA12CA4CA6
SCHEMBL3007486 0.80 CA1 (0.49) CA1CA2CA12CA4CA6
SCHEMBL8779816 0.80 NEU3 (0.42) CA1CA2CA12CA4CA6
SCHEMBL3399259 0.79 ALDH1A1 (0.46) LMNATSHRALDH1A1KDM4EMAPT
SCHEMBL2899363 0.77 NEU3 (0.45) CA1CA2CA12CA4CA6
SCHEMBL1457686 0.76 CA12 (0.52) CA1CA2CA12CA7CA9
SCHEMBL30940602 0.76 CA12 (0.52) CA1CA2CA12CA7CA9
SCHEMBL3398382 0.76 TSHR (0.44) CA1CA2CA12CA4CA6

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117342991-A Sustained-release high-alkaline cement reinforcing agent and preparation method and application thereof 华新水泥股份有限公司 2024-01-05 CN claimed
CN-117342991-A Sustained-release high-alkaline cement reinforcing agent and preparation method and application thereof 华新水泥股份有限公司 2024-01-05 CN disclosed
CN-101965331-B Method for producing isothiocyanate compound having carboxyl group NISSAN CHEMICAL IND LTD 2014-04-16 CN disclosed
US-8367857-B2 Method for producing isothiocyanate compound having carboxyl group NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-02-05 US disclosed
CN-101965331-A Method for producing isothiocyanate compound having carboxyl group NISSAN CHEMICAL IND LTD 2011-02-02 CN disclosed
US-7855288-B2 Pyrrolo [1,2-d] [1,2-4] triazine as inhibitors of c-Jun N terminal kinases (JNK) and p-38 kinases NOVARTIS AG (CH) 2010-12-21 US disclosed
US-20100312000-A1 METHOD FOR PRODUCING ISOTHIOCYANATE COMPOUND HAVING CARBOXYL GROUP NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2010-12-09 US disclosed
EP-2248800-A1 METHOD FOR PRODUCING ISOTHIOCYANATE COMPOUND HAVING CARBOXYL GROUP Nissan Chemical Industries, Ltd. (JP) 2010-11-10 EP disclosed
EP-1807431-B1 PYRROLO[1,2-D][1,2-4]TRIAZINE AS INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND P-38 KINASES NOVARTIS AG (CH) 2010-09-08 EP disclosed
US-20080253988-A1 Pyrrolo [1,2-D] [1,2-4] Triazine as Inhibitors of C-Jun N Terminal Kinases (Jnk) and P-38 Kinases NOVARTIS AG (CH) 2008-10-16 US disclosed
EP-1807431-A1 PYRROLO[1,2-D][1,2-4]TRIAZINE AS INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND P-38 KINASES Novartis AG (CH) 2007-07-18 EP disclosed
WO-2006047354-A1 PYRROLO [1,2-D][1,2-4]TRIAZINE AS INHIBITORS OF C-JUN N TERMINAL KINASES (JNK) AND P-38 KINASES NOVARTIS AG (CH) 2006-05-04 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 (2 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-20080253988-A1 Pyrrolo [1,2-D] [1,2-4] Triazine as Inhibitors of C-Jun N Terminal Kinases (Jnk) and P-38 Kinases MAPK8, MAP3K8, STK38 CA1 4100/4885CA2 4556/4885CA12 4746/4885
US-20100312000-A1 METHOD FOR PRODUCING ISOTHIOCYANATE COMPOUND HAVING CARBOXYL GROUP CBS, CTH, TST CA1 1100/4885CA2 501/4885CA12 60/4885

“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.