SCHEMBL15280705

SCHEMBL15280705

C=C(O)C1(c2ccc(-c3ccc(-c4noc(C)c4N)cc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.38
PTGS1 P23219 3/20 0.38
MT-CO2 P00403 3/20 0.38
LMNA P02545 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA2B P18089 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
SLC6A2 P23975 1/20 0.38
PDE4A P27815 1/20 0.38
ADORA1 P30542 1/20 0.38
CA5A P35218 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
SCHEMBL9939467 0.87 LPAR1 (0.42) LMNAKMT2AMEN1GAAALDH1A1
SCHEMBL15280707 0.79 ABCC3 (0.42) KMT2AMEN1BRD4ALDH1A1ABCC3
SCHEMBL15280704 0.74 LPAR1 (0.44) GAAALDH1A1ABCC3ABCC4ABCB11
SCHEMBL657826 0.71 PTGS1 (0.63) PTGS2PTGS1MT-CO2LMNACA12
SCHEMBL15280706 0.70 LPAR1 (0.66) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL15280713 0.70 LPAR1 (0.66) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL13170545 0.69 RAB9A (0.48) PTGS2PTGS1MT-CO2LMNACA12
SCHEMBL1246328 0.67 LPAR1 (0.52) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL9939476 0.66 LPAR1 (0.54) ALDH1A1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1247369 0.65 LPAR1 (0.50) ABCC3ABCC4ABCB11CYP2C8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121295-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2017-05-04 US disclosed
US-9556133-B2 Polycyclic LPA1 antagonist and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US disclosed
US-20130253023-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2013-09-26 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-20170121295-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF LPAR1, LPAR2, LPAR4 PTGS2 2590/4885PTGS1 704/4885MT-CO2 4836/4885
US-20130253023-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF LPAR1, LPAR2, LPAR4 PTGS2 2502/4885PTGS1 611/4885MT-CO2 4848/4885

“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.