SCHEMBL19987486

SCHEMBL19987486

CCC(CC)c1ccc(S(=O)(=O)CC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.52
GAA P10253 1/20 0.52
NR1I2 O75469 1/20 0.49
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CCR5 P51681 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
RORC P51449 5/20 0.39
GRIA4 P48058 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RORA P35398 3/20 0.37
PLCG1 P19174 1/20 0.35
CTSK P43235 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
SCHEMBL23636873 0.88 GAA (0.46) PSIP1GAANR1I2HDAC8HDAC6
SCHEMBL11077494 0.83 PSIP1 (0.57) PSIP1GAANR1I2RORCCYP3A4
SCHEMBL20032386 0.83 NR1I2 (0.49) NR1I2HDAC8HDAC6CCR5ADRA2A
SCHEMBL20032091 0.81 CA2 (0.55) NR1I2ALDH1A1
SCHEMBL10179790 0.81 PSIP1 (0.50) PSIP1GAAHDAC8ALDH1A1
SCHEMBL13423754 0.81 NR1I2 (0.47) NR1I2HDAC8HDAC6CCR5ADRA2A
SCHEMBL14226496 0.81 NR1I2 (0.47) GAANR1I2HDAC8HDAC6CCR5
SCHEMBL10455034 0.81 PSIP1 (0.74) PSIP1GAAALDH1A1CYP3A4CYP2C9
SCHEMBL10180779 0.80 GAA (0.59) PSIP1GAARORCALDH1A1
SCHEMBL16232126 0.79 GAA (0.53) PSIP1GAANR1I2RORCALDH1A1

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 PSIP1 4496/4885GAA 480/4885NR1I2 1266/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT PSIP1 4496/4885GAA 480/4885NR1I2 1266/4885

“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.