SCHEMBL22496058

SCHEMBL22496058

CCOC(=O)C1(F)CCCC(O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
CYP3A4 P08684 2/20 0.32
ABCB11 O95342 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CHRM3 P20309 1/20 0.32
DRD1 P21728 1/20 0.32
HRH2 P25021 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL22516353 1.00 F10 (0.36) F10SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL31157615 1.00 F10 (0.36) F10SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL25864614 0.81 NPSR1 (0.35) MEN1KMT2APOLBALDH1A1NPSR1
SCHEMBL7184418 0.79 F10 (0.37) F10SMN1; SMN2MEN1KMT2APOLB
SCHEMBL29635887 0.79 F10 (0.40) F10SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL22516378 0.79 F10 (0.40) F10SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL22516380 0.79 F10 (0.40) F10SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL14154941 0.79 F10 (0.40) F10SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL10477634 0.79 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2ACYP3A4ABCB11
SCHEMBL3181237 0.79 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ALMNAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180488-B2 Isoxazole o-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL MYERS SQUIBB CO (US) 2021-11-23 US disclosed
US-20200317655-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-08 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 (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-20200317655-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR4, LPAR6 F10 784/4885SMN1; SMN2 4501/4885MEN1 3402/4885
US-11180488-B2 Isoxazole o-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR6, LPAR4 F10 708/4885SMN1; SMN2 4473/4885MEN1 3462/4885

“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.