Sugi Predict

Sugi Predict / Compounds / SCHEMBL16508917

SCHEMBL16508917

SCHEMBL16508917

CCCCN1CC(F)(F)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ GLB1 P16278 1/20 0.40
▸ S1PR1 P21453 2/20 0.37
▸ S1PR3 Q99500 2/20 0.37
▸ S1PR5 Q9H228 2/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ GBA1 P04062 2/20 0.35
▸ GNAI3 P08754 3/20 0.34
▸ GNAO1 P09471 3/20 0.34
▸ GNAI1 P63096 3/20 0.34
▸ GUSB P08236 2/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ EBP Q15125 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL38666415 0.91 GNAI3 (0.45) NOS3NOS1NOS2S1PR1S1PR3
SCHEMBL19710786 0.91 GNAI3 (0.45) NOS3NOS1NOS2S1PR1S1PR3
SCHEMBL9925606 0.84 — —
SCHEMBL20220816 0.83 GLB1 (0.39) GLB1S1PR1S1PR3S1PR5S1PR4
SCHEMBL9946182 0.82 S1PR1 (0.47) GLB1S1PR1S1PR3S1PR5S1PR4
SCHEMBL14131261 0.79 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4SIGMAR1
SCHEMBL14921679 0.77 NOS3 (0.38) NOS3NOS1NOS2
SCHEMBL20746972 0.76 GNAI3 (0.45) S1PR1S1PR3S1PR5S1PR4GNAI3
SCHEMBL19275195 0.76 GNAI3 (0.45) S1PR1S1PR3S1PR5S1PR4GNAI3
SCHEMBL27317078 0.76 GNAI3 (0.41) S1PR1S1PR3S1PR5S1PR4GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186574-B2 Inhibitors of EGFR and/or HER2 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-30 — — US disclosed
US-20200199121-A1 INHIBITORS OF EGFR AND/OR HER2 AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. 2020-06-25 — — US disclosed
EP-2755965-B1 NOVEL IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2017-07-26 — — EP disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 — — 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-11186574-B2 Inhibitors of EGFR and/or HER2 and methods of use EGFR, ERBB2, ERBB3 NOS3 3980/4885NOS1 3933/4885NOS2 3738/4885
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA NOS3 3798/4885NOS1 4449/4885NOS2 3567/4885
US-20200199121-A1 INHIBITORS OF EGFR AND/OR HER2 AND METHODS OF USE EGFR, ERBB2, ERBB3 NOS3 3980/4885NOS1 3933/4885NOS2 3738/4885

“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.