SCHEMBL25801724

SCHEMBL25801724

CC[C@@H](C)Oc1ccc(C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.47
HRH3 Q9Y5N1 5/20 0.47
CYP2A6 P11509 2/20 0.45
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
MMP2 P08253 2/20 0.41
MMP3 P08254 1/20 0.41
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.40
MGLL Q99685 1/20 0.40
PGR P06401 1/20 0.40

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
SCHEMBL1445330 1.00 ACACB (0.47) ACACBHRH3CYP2A6GAASMN1; SMN2
SCHEMBL25801725 1.00 ACACB (0.47) ACACBHRH3CYP2A6GAASMN1; SMN2
SCHEMBL16437755 0.95 MMP2 (0.48) ACACBHRH3CYP2A6ALDH1A1MAPT
SCHEMBL9435217 0.95 MMP2 (0.48) ACACBHRH3CYP2A6ALDH1A1MAPT
SCHEMBL26383732 0.95 MMP2 (0.48) ACACBHRH3CYP2A6ALDH1A1MAPT
SCHEMBL9871755 0.86 GAA (0.43) HRH3CYP2A6GAASMN1; SMN2MAOB
SCHEMBL11527151 0.86 GRIA1 (0.49) ACACBHRH3
SCHEMBL11527148 0.86 GRIA1 (0.49) ACACBHRH3
SCHEMBL122883 0.83 ACACB (0.45) ACACBMAPT
SCHEMBL6118370 0.83 LOXL2 (0.44) HRH3CYP2A6GAASMN1; SMN2MAOB

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 5 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

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 ACACB 358/4885HRH3 545/4885CYP2A6 1574/4885

“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.