SCHEMBL29907993

SCHEMBL29907993

C[C@@H](O)c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.47
P2RX7 Q99572 1/20 0.47
PDE2A O00408 1/20 0.43
CNR2 P34972 2/20 0.42
HSD11B1 P28845 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MC4R P32245 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL29580255 1.00 ACP3 (0.47) ACP3P2RX7PDE2ACNR2HSD11B1
SCHEMBL1047627 1.00 ACP3 (0.47) ACP3P2RX7PDE2ACNR2HSD11B1
SCHEMBL343233 1.00 ACP3 (0.47) ACP3P2RX7PDE2ACNR2HSD11B1
SCHEMBL13168657 1.00 ACP3 (0.47) ACP3P2RX7PDE2ACNR2HSD11B1
SCHEMBL2986939 1.00 ACP3 (0.47) ACP3P2RX7PDE2ACNR2HSD11B1
Phthalic Acid SCHEMBL3626025 0.86 TAS2R14 (0.48) ACP3P2RX7CNR2ALDH1A1LMNA
Phthalic Acid SCHEMBL3626023 0.86 TAS2R14 (0.48) ACP3P2RX7CNR2ALDH1A1LMNA
SCHEMBL8539373 0.83 ACP3 (0.49) ACP3P2RX7PDE2ACNR2HSD11B1
SCHEMBL84477 0.82 P2RX7 (0.50) ACP3P2RX7CNR2HSD11B1SMN1; SMN2
SCHEMBL9776265 0.82 ACP3 (0.50) ACP3P2RX7CNR2ALDH1A1MC4R

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
US-12454530-B2 Amido cyclohexane acid derivatives as LPA receptor inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2025-10-28 US disclosed
EP-4182301-B1 AMIDO CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARM SPA (IT) 2024-09-04 EP disclosed
CN-116970580-A Short-chain dehydrogenase mutant derived from Raffina and application of short-chain dehydrogenase mutant in catalyzing aryl ketone to prepare chiral alcohol 浙江工业大学 2023-10-31 CN disclosed
US-20230250093-A1 AMIDO CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-08-10 US disclosed
WO-2022174882-A1 5-MEMBERED HETEROCYCLYL CARBAMATE DERIVATIVES AS DUAL LPA RECEPTOR 1 AND LPA RECEPTOR 2 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-08-25 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-12454530-B2 Amido cyclohexane acid derivatives as LPA receptor inhibitors LPAR1, LPAR2, LPAR3 ACP3 1383/4885P2RX7 757/4885PDE2A 1172/4885
US-20230250093-A1 AMIDO CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS LPAR1, LPAR2, LPAR3 ACP3 1383/4885P2RX7 757/4885PDE2A 1172/4885

“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.