SCHEMBL15723872

SCHEMBL15723872

CC(C)c1cccc(-c2cc(C(F)(F)F)no2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN5 P54829 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ BRD2 P25440 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ MLLT1 Q03111 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ EPHX2 P34913 1/20 0.34

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
SCHEMBL15730396 0.80 RAB9A (0.49) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL18852461 0.78 BRD4 (0.43) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL28320114 0.77 RAB9A (0.55) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL19736894 0.77 MLLT1 (0.45) PTPN5ALDH1A1HPGDKDM4EKMT2A
SCHEMBL17067047 0.77 NOTUM (0.40) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL21466382 0.73 RAB9A (0.64) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL23603957 0.72 BRD4 (0.49) ALDH1A1HPGDKDM4EHSD17B10BRD4
SCHEMBL16903678 0.72 PTPN5 (0.43) PTPN5ALDH1A1HPGDKDM4EMEN1
SCHEMBL31375610 0.71 NPC1 (0.51) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL22699905 0.71 PTPN5 (0.50) PTPN5ALDH1A1HPGDKDM4EMAPT

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-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — 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 (3 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN PTPN5 3350/4885ALDH1A1 649/4885HPGD 1093/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN PTPN5 3350/4885ALDH1A1 649/4885HPGD 1093/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PTPN5 3350/4885ALDH1A1 649/4885HPGD 1093/4885

“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.

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