SCHEMBL647490

SCHEMBL647490

CCC(C(=O)O)c1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.46
AKR1C2 P52895 9/20 0.46
PTGS1 P23219 2/20 0.46
AKR1C1 Q04828 1/20 0.46
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA1A P35348 1/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
KCNQ2 O43526 1/20 0.38

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
SCHEMBL1574429 0.85 AKR1C3 (0.58) AKR1C3AKR1C2PTGS1AKR1C1LMNA
SCHEMBL298308 0.85 SLC6A3 (0.39) PTGS1LMNAADRA1AGAAALDH1A1
SCHEMBL28019858 0.84 ESR1 (0.42) AKR1C3AKR1C2AKR1C1LMNAHSD17B10
SCHEMBL11136320 0.82 CYP2C19 (0.40) PTGS1LMNAHSD17B10GAAALDH1A1
SCHEMBL65737 0.81 LMNA (0.59) LMNAHSD17B10HTR1AADRA1AGAA
SCHEMBL29757088 0.81 LMNA (0.59) LMNAHSD17B10HTR1AADRA1AGAA
SCHEMBL20769804 0.81 LMNA (0.59) LMNAHSD17B10HTR1AADRA1AGAA
SCHEMBL1715 0.81 LMNA (0.59) LMNAHSD17B10HTR1AADRA1AGAA
SCHEMBL67237 0.81 LMNA (0.59) LMNAHSD17B10HTR1AADRA1AGAA
SCHEMBL490763 0.80 L3MBTL1 (0.56) GAAALDH1A1L3MBTL1POLBCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146163-A Benzimidazole derivative and preparation method thereof 雅安职业技术学院 2024-06-07 CN claimed
EP-2295442-A2 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-16 EP claimed
EP-2083014-A2 Inhibitors of interleukin-1ß converting enzyme Vertex Pharmceuticals Incorporated (US) 2009-07-29 EP claimed
US-20030225269-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2003-12-04 US claimed
EP-0869967-A2 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1998-10-14 EP claimed
US-5756466-A Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS, INC. (US) 1998-05-26 US claimed
WO-1997022619-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 WO claimed
CN-118146163-A Benzimidazole derivative and preparation method thereof 雅安职业技术学院 2024-06-07 CN disclosed
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
EP-2295442-A2 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-16 EP disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
EP-0869967-A2 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1998-10-14 EP disclosed
WO-1997022619-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 WO disclosed
US-5395838-A Aromatic aminomethyl substitutes compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-03-07 US disclosed
US-5252573-A Quinazoline derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-12 US disclosed
US-5089499-A Anticarcinogenic agents; thymidylate synthetase inhibitors; antiallergens; psoriasis IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-18 US disclosed
US-4716168-A STIMULANTS OF IMMUNE RESPONSE NORWICH EATON PHARMACEUTICALS, INC. (US) 1987-12-29 US disclosed
EP-0187705-A2 Imidazo(4,5-f)quinolines useful as immunomodulating agents Norwich Eaton Pharmaceuticals, Inc. (US) 1986-07-16 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 (3 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B AKR1C3 906/4885AKR1C2 845/4885PTGS1 81/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B AKR1C3 906/4885AKR1C2 845/4885PTGS1 81/4885
US-20030225269-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, APAF1, IL1B AKR1C3 782/4885AKR1C2 859/4885PTGS1 147/4885

“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.