SCHEMBL9788917

SCHEMBL9788917

CCCc1ccc(CCC#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LPL P06858 2/20 0.45
LIPG Q9Y5X9 2/20 0.45
MGLL Q99685 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA2 P00918 1/20 0.42
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
PLK1 P53350 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
THRB P10828 2/20 0.38
CYP2A6 P11509 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 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
SCHEMBL8764230 0.87 MEN1 (0.64) MEN1KMT2AALDH1A1CA2TSHR
SCHEMBL31324214 0.86 HSD17B10 (0.50) MEN1KMT2ALPLLIPGALDH1A1
SCHEMBL10264572 0.86 CYP2A6 (0.54) MEN1KMT2ALPLLIPGMGLL
SCHEMBL9552354 0.83 HSD17B10 (0.56) MEN1KMT2ALPLLIPGMGLL
Water SCHEMBL28941509 0.82 LPL (0.59) LPLLIPGMGLLALDH1A1CA2
SCHEMBL1016157 0.81 MEN1 (0.52) MEN1KMT2AALDH1A1MMP9MMP13
SCHEMBL31258 0.81 LPL (0.45) MEN1KMT2ALPLLIPGMGLL
SCHEMBL8763175 0.80 MEN1 (0.56) MEN1KMT2AMGLLALDH1A1TSHR
SCHEMBL9552869 0.80 KMT2A (0.56) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL142480 0.79 LPL (0.62) LPLLIPGMGLLALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4081511-B3 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LTD (GB) 2026-03-04 EP disclosed
EP-4442319-A2 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES Sitryx Therapeutics Limited (GB) 2024-10-09 EP disclosed
EP-4081511-B1 CARBOXY DERIVATIVES WITH ANTIINFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LTD (GB) 2024-07-31 EP disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
EP-0259085-B1 2-GUANIDINO-4-ARYLTHIAZOLES FOR TREATMENT OF PEPTIC ULCERS PFIZER INC. (US) 1991-08-21 EP disclosed
US-5026715-A 2-guanidino-4-arylthiazoles for treatment of peptic ulcers PFIZER INC. (US) 1991-06-25 US disclosed
EP-0161841-B1 2-(N-SUBSTITUTEGUANIDINO)-4-HETERO-ARYLTHIAZOLE ANTIULCER AGENTS PFIZER INC. (US) 1989-07-19 EP disclosed
EP-0259085-A1 2-Guanidino-4-arylthiazoles for treatment of peptic ulcers PFIZER INC. (US) 1988-03-09 EP disclosed
US-4560690-A ANTISECRETORY AGENTS, HISTAMINE H2-ANTAGONISTS PFIZER INC. (US) 1985-12-24 US disclosed
EP-0161841-A1 2-(N-substituteguanidino)-4-hetero-arylthiazole antiulcer agents PFIZER INC. (US) 1985-11-21 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 (1 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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 MEN1 4504/4885KMT2A 3125/4885LPL 3798/4885

“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.