SCHEMBL116604

SCHEMBL116604

CCC(F)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.41
STAT3 P40763 1/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
DHODH Q02127 1/20 0.37
CA2 P00918 3/20 0.37
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37
VDR P11473 1/20 0.37
CA1 P00915 3/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL116676 1.00 AGER (0.41) AGERSTAT3ALDH1A1GAACYP3A4
SCHEMBL179049 0.91 AGER (0.44) AGERSTAT3ALDH1A1GAACYP3A4
SCHEMBL336511 0.88 AGER (0.44) AGERSTAT3ALDH1A1GAACYP3A4
SCHEMBL17427977 0.87 CA12 (0.45) AGERSTAT3ALDH1A1GAACYP3A4
SCHEMBL25345480 0.87 AGER (0.41) AGERSTAT3ALDH1A1GAACYP3A4
SCHEMBL30802773 0.87 AGER (0.41) AGERSTAT3ALDH1A1GAACYP3A4
SCHEMBL17396769 0.85 CA12 (0.40) AGERSTAT3ALDH1A1GAACYP3A4
SCHEMBL10339892 0.85 ALDH1A1 (0.41) AGERSTAT3ALDH1A1GAACYP3A4
SCHEMBL28655071 0.85 DHODH (0.42) AGERSTAT3ALDH1A1GAACYP3A4
SCHEMBL17427980 0.85 CA12 (0.40) AGERSTAT3ALDH1A1GAACYP3A4

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-20240067635-A1 CROMOLYN DERIVATIVES AND USES THEREOF THE GENERAL HOSPITAL CORPORATION 2024-02-29 US disclosed
US-11807650-B2 NMDA receptor modulators and uses thereof NOVARTIS AG (CH) 2023-11-07 US disclosed
US-11801316-B2 Cromolyn derivatives and related methods of imaging and treatment THE GENERAL HOSPITAL CORPORATION (US) 2023-10-31 US disclosed
US-11666669-B2 Cromolyn derivatives and related methods of imaging and treatment THE GENERAL HOSPITAL CORPORATION (US) 2023-06-06 US disclosed
US-20180193491-A1 CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT THE GENERAL HOSPITAL CORPORATION 2018-07-12 US disclosed
US-20180193492-A1 CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT THE GENERAL HOSPITAL CORPORATION 2018-07-12 US disclosed
US-20180169277-A1 CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT THE GENERAL HOSPITAL CORPORATION 2018-06-21 US disclosed
US-9925282-B2 Cromolyn derivatives and related methods of imaging and treatment THE GENERAL HOSPITAL CORPORATION (US) 2018-03-27 US disclosed
US-20160263257-A1 CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT THE GENERAL HOSPITAL CORPORATION 2016-09-15 US disclosed
US-20140140927-A1 CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT THE GENERAL HOSPITAL CORPORATION (US) 2014-05-22 US disclosed
US-20120058049-A1 CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT THE GENERAL HOSPITAL CORPORATION 2012-03-08 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 (10 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-11801316-B2 Cromolyn derivatives and related methods of imaging and treatment PSEN1, PSEN2, CROCC AGER 313/4885STAT3 3655/4885ALDH1A1 3040/4885
US-20240067635-A1 CROMOLYN DERIVATIVES AND USES THEREOF PRNP, HTT, CLN6 AGER 818/4885STAT3 3155/4885ALDH1A1 2319/4885
US-11807650-B2 NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN2C AGER 684/4885STAT3 2323/4885ALDH1A1 2036/4885
US-20180193491-A1 CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT PSEN1, PSEN2, CROCC AGER 313/4885STAT3 3655/4885ALDH1A1 3040/4885
US-20140140927-A1 CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT PSEN1, PSEN2, CROCC AGER 359/4885STAT3 3642/4885ALDH1A1 3053/4885
US-20160263257-A1 CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT PSEN1, CROCC, PSEN2 AGER 337/4885STAT3 3406/4885ALDH1A1 2758/4885
US-20180193492-A1 CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT PSEN1, PSEN2, CROCC AGER 377/4885STAT3 3477/4885ALDH1A1 3226/4885
US-20120058049-A1 CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT CLN6, CA6, GALNT6 AGER 747/4885STAT3 3818/4885ALDH1A1 3021/4885
US-11666669-B2 Cromolyn derivatives and related methods of imaging and treatment PSEN1, PSEN2, CROCC AGER 359/4885STAT3 3642/4885ALDH1A1 3053/4885
US-20180169277-A1 CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT PSEN1, PSEN2, CROCC AGER 313/4885STAT3 3655/4885ALDH1A1 3040/4885

“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.