SCHEMBL14485081

SCHEMBL14485081

CCOC(=O)Cn1ccc2cc(F)c(F)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.48
▸ HTR2C P28335 3/20 0.48
▸ ALDH1A1 P00352 5/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ NPY5R Q15761 1/20 0.42
▸ TNF P01375 3/20 0.41
▸ MAPT P10636 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HK1 P19367 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HKDC1 Q2TB90 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL20512455 0.89 ALDH1A1 (0.42) HTR2AHTR2CALDH1A1CYP1A2CYP3A4
SCHEMBL20037274 0.84 ALDH1A1 (0.50) HTR2AHTR2CALDH1A1CYP1A2CYP3A4
SCHEMBL13981018 0.80 HTR2C (0.54) HTR2AHTR2CALDH1A1CYP1A2CYP3A4
SCHEMBL3871316 0.80 MCL1 (0.47) ALDH1A1TNFMAPTLMNASMN1; SMN2
SCHEMBL30396580 0.80 F2 (0.45) ALDH1A1TNFMAPTLMNASMN1; SMN2
SCHEMBL3689068 0.80 F2 (0.45) ALDH1A1TNFMAPTLMNASMN1; SMN2
SCHEMBL4485443 0.79 NTSR1 (0.52) HTR2AHTR2CALDH1A1LMNAKMT2A
SCHEMBL20037218 0.79 TDP1 (0.53) HTR2AHTR2CALDH1A1NPY5RMAPT
SCHEMBL4483940 0.79 ATM (0.43) ALDH1A1TNFMAPTLMNAJAK2
SCHEMBL1666483 0.79 NTSR1 (0.52) ALDH1A1CYP1A2CYP3A4TNFMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 — — US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 — — US disclosed
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-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — US disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 — — EP disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — US disclosed
EP-2729448-A1 COMPOUNDS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2014-05-14 — — EP disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 — — WO 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 (6 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 HTR2A 4866/4885HTR2C 4731/4885ALDH1A1 649/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN HTR2A 4866/4885HTR2C 4731/4885ALDH1A1 649/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN HTR2A 4866/4885HTR2C 4731/4885ALDH1A1 649/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HTR2A 4866/4885HTR2C 4731/4885ALDH1A1 649/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HTR2A 4866/4885HTR2C 4731/4885ALDH1A1 649/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HTR2A 4866/4885HTR2C 4731/4885ALDH1A1 649/4885

“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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