SCHEMBL19987447

SCHEMBL19987447

CCC(C)(C)c1ccc(OC)cc1F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.48
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CPS1 P31327 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL19987450 0.86 KIF11 (0.49) KIF11CYP11B1CYP11B2CYP1A1CYP1A2
SCHEMBL18970383 0.86 KIF11 (0.38) KIF11CYP1A1CYP1A2CYP1B1CA1
SCHEMBL19987524 0.84 NQO1 (0.43) CYP1A2CA12CA1CA7CA9
Hydrochloric Acid SCHEMBL8507684 0.83 KIF11 (0.52) KIF11CYP11B1CYP11B2CYP1A1CYP1A2
SCHEMBL10686133 0.81 KIF11 (0.49) KIF11CYP11B1CYP11B2CYP1A1CYP1A2
SCHEMBL1506600 0.81 KIF11 (0.49) KIF11CYP11B1CYP11B2CYP1A1CYP1A2
SCHEMBL22140448 0.81 EPHX2 (0.43) CYP11B1CYP11B2
SCHEMBL22140260 0.80 CRHR1 (0.38) CYP1A2MTNR1AMTNR1BCA12CA1
SCHEMBL805037 0.80 CA12 (0.50) CYP1A1CYP1A2CYP1B1TAAR1CA12
SCHEMBL12904906 0.80 CASP1 (0.39) CYP1A2CA12CA1CA2CA7

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-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 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-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT KIF11 3776/4885CYP11B1 273/4885CYP11B2 246/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT KIF11 3776/4885CYP11B1 273/4885CYP11B2 246/4885

“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.